MMsINC Database Search


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MMsINC code: MMs00015524

Type: Neutral
Formula: C₅H₁₀O₅

SMILES:

O1C(CO)C(O)C(O)C1O

InChI:

InChI=1/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4-,5+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.7423 kcal/mol

Physical Properties
Molecular Weight: 150.13 g/mol	logS: 1.04741	SlogP: -2.5823	Reactive groups: 0

Topological Properties
Globularity: 0.161556	Sterimol/B1: 2.69031	Sterimol/B2: 3.24508	Sterimol/B3: 4.20522
Sterimol/B4: 4.3063	Sterimol/L: 9.67707

Surface and Volume Properties
Accessible surface: 314.507	Positive charged surface: 234.456	Negative charged surface: 80.0513	Volume: 127.25
Hydrophobic surface: 104.078	Hydrophilic surface: 210.429

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 4

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.